4-[[4-(3-anilino-3-oxopropyl)phenoxy]methyl]pyridine-2-carboxamide

C22H21N3O3 — CID 90729320

IUPAC4-[[4-(3-anilino-3-oxopropyl)phenoxy]methyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(COc2ccc(CCC(=O)Nc3ccccc3)cc2)ccn1
InChIInChI=1S/C22H21N3O3/c23-22(27)20-14-17(12-13-24-20)15-28-19-9-6-16(7-10-19)8-11-21(26)25-18-4-2-1-3-5-18/h1-7,9-10,12-14H,8,11,15H2,(H2,23,27)(H,25,26)
InChIKeyWDHBTJJXJVDMGD-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.33
Rot. Bonds8

About 4-[[4-(3-anilino-3-oxopropyl)phenoxy]methyl]pyridine-2-carboxamide

4-[[4-(3-anilino-3-oxopropyl)phenoxy]methyl]pyridine-2-carboxamide (PubChem CID 90729320) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-[[4-(3-anilino-3-oxopropyl)phenoxy]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[4-(3-anilino-3-oxopropyl)phenoxy]methyl]pyridine-2-carboxamide
PubChem CID90729320
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name4-[[4-(3-anilino-3-oxopropyl)phenoxy]methyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(COc2ccc(CCC(=O)Nc3ccccc3)cc2)ccn1
InChIInChI=1S/C22H21N3O3/c23-22(27)20-14-17(12-13-24-20)15-28-19-9-6-16(7-10-19)8-11-21(26)25-18-4-2-1-3-5-18/h1-7,9-10,12-14H,8,11,15H2,(H2,23,27)(H,25,26)
InChIKeyWDHBTJJXJVDMGD-UHFFFAOYSA-N
XLogP3.33
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)propanamide
CID 19220831
4-[[3-[3-[4-cyano-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]methyl]pyridine-2-carboxamide
CID 91430859
N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]-3-phenylpropanamide
CID 113000439
3-phenyl-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066904
4-(3-phenylpropanoylamino)benzamide
CID 675903
3-[4-(methylsulfamoyl)phenyl]-N-(4-phenylmethoxyphenyl)propanamide
CID 27650136
4-[3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]phenoxy]pyridine-2-carboxamide
CID 11683382
2-[4-(3-phenylpropanoylamino)phenoxy]acetate
CID 2231593
N-(4-phenylmethoxyphenyl)-N'-pyridin-3-ylpentanediamide
CID 51362775
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] pyridine-2-carboxylate
CID 7866583
N-(4-phenylmethoxyphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385766
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-anilino-3-oxopropyl)phenoxy]methyl]pyridine-2-carboxamide?
The IUPAC name of 4-[[4-(3-anilino-3-oxopropyl)phenoxy]methyl]pyridine-2-carboxamide (CID 90729320) is 4-[[4-(3-anilino-3-oxopropyl)phenoxy]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[4-(3-anilino-3-oxopropyl)phenoxy]methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[[4-(3-anilino-3-oxopropyl)phenoxy]methyl]pyridine-2-carboxamide is NC(=O)c1cc(COc2ccc(CCC(=O)Nc3ccccc3)cc2)ccn1.
What is the InChIKey of 4-[[4-(3-anilino-3-oxopropyl)phenoxy]methyl]pyridine-2-carboxamide?
The InChIKey is WDHBTJJXJVDMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c23-22(27)20-14-17(12-13-24-20)15-28-19-9-6-16(7-10-19)8-11-21(26)25-18-4-2-1-3-5-18/h1-7,9-10,12-14H,8,11,15H2,(H2,23,27)(H,25,26).
What are the key properties of 4-[[4-(3-anilino-3-oxopropyl)phenoxy]methyl]pyridine-2-carboxamide?
4-[[4-(3-anilino-3-oxopropyl)phenoxy]methyl]pyridine-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-anilino-3-oxopropyl)phenoxy]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 90729320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).